SCHEMBL3075795

SCHEMBL3075795

CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@H](OP(=O)(O)OCC(=O)O)[C@@H](OP(=O)(O)OCC(=O)O)[C@@H](OP(=O)(O)OCC(=O)O)[C@H]1OC(=O)CCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.36
MVD P53602 1/20 0.34
SMPD1 P17405 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PAM P19021 2/20 0.33
PLCG2 P16885 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
AKT1 P31749 2/20 0.30
TLR4 O00206 1/20 0.30
LY96 Q9Y6Y9 1/20 0.30
PIK3R1 P27986 1/20 0.30
AKT2 P31751 1/20 0.30
PIK3CA P42336 1/20 0.30
AKT3 Q9Y243 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3077143 0.91 GPR55 (0.43) GPR55SMPD1PAMPLCG2AKT1
SCHEMBL3085500 0.90 GPR55 (0.47) GPR55SMPD1PAMPLCG2AKT1
SCHEMBL3082822 0.88 MVD (0.36) GPR55MVDSMPD1
SCHEMBL8498941 0.79 ITPR3 (0.43) SMPD1ALDH1A1AKT1TLR4LY96
SCHEMBL6388024 0.79 ITPR3 (0.43) SMPD1ALDH1A1AKT1TLR4LY96
SCHEMBL5667749 0.79 ITPR3 (0.43) SMPD1ALDH1A1AKT1TLR4LY96
SCHEMBL8845346 0.79 ITPR3 (0.43) SMPD1ALDH1A1AKT1TLR4LY96
SCHEMBL6389556 0.79 ITPR3 (0.43) SMPD1ALDH1A1AKT1TLR4LY96
SCHEMBL8844497 0.79 ITPR3 (0.43) SMPD1ALDH1A1AKT1TLR4LY96
SCHEMBL3078845 0.79 ITPR3 (0.43) SMPD1ALDH1A1AKT1TLR4LY96

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 US disclosed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US disclosed
EP-1390045-B1 THE USE OF A COMPOUND WITH A NEGATIVELY CHARGED DOMAIN OF PHOSPHOROUS-CONTAINING RADICALS FOR THE TREATMENT OF RESTENOSIS BIONERIS AB (SE) 2008-12-03 EP disclosed
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS PERSTORP AB (SE) 2005-10-13 US disclosed
US-6949517-B1 Method of treating inflammatory, tissue repair and infectious conditions SIREN MATTI 2005-09-27 US disclosed
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis BIONERIS AB (SE) 2004-11-25 US disclosed
US-6632797-B2 Administering to a mammal a cyclic compound (acyclic, carbocyclic or heterocyclic) substituted by at least three vicinal phosphorus containing radicals for treating angiogenesis in tumor conditions SIREN MATTI (FI) 2003-10-14 US disclosed
EP-1216705-A2 The use of growth factor modulation compounds substituted with three vicinal phosphorus containing radical in the manufacture of a medicament for tissue repair PERSTORP AB (SE) 2002-06-26 EP disclosed
US-20020065253-A1 Use of growth factor modulating compounds SIREN MATTI (FI) 2002-05-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B GPR55 873/4885MVD 1092/4885SMPD1 3174/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 GPR55 2528/4885MVD 28/4885SMPD1 1070/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB GPR55 1619/4885MVD 425/4885SMPD1 2246/4885
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis PCNA, OPRK1, OGFR GPR55 1796/4885MVD 570/4885SMPD1 2414/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT GPR55 3262/4885MVD 67/4885SMPD1 1166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.